Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Multipoles [step 0] | -3.020217336424548e-16 | 0.000000000000000e+00 | 2.540000000000000e-14 | -3.020217336424548e-16 | PASS |
| Benzene Energy [step 0] | -3.744578880864131e+01 | -3.744578880864112e+01 | 3.740000000000000e-13 | -1.918465386552271e-13 | PASS |
| Benzene Energy [step 20] | -3.744565861329856e+01 | -3.744565861329850e+01 | 1.870000000000000e-12 | -6.394884621840902e-14 | PASS |
| Benzene Multipoles [step 20] | -2.094497201627776e-02 | -2.094497201627904e-02 | 1.670000000000000e-14 | 1.280225925270884e-15 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401555572859948e-06 | 1.401555572859941e-06 | 1.030000000000000e-19 | 6.988021814847978e-21 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344499835361470e-05 | 9.344499835338481e-05 | 1.000000000000000e-14 | 2.298915181483951e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958137034434820e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | -2.572003199891268e-13 | PASS |
| Dipolar field [step 20] | 1.022777796357380e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | -2.959941276414028e-14 | PASS |